REMARK Name = BDB026054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.388 -0.371 0.276 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.998 -1.721 0.308 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.918 -2.685 0.467 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.335 -2.116 0.194 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.335 -1.157 0.047 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.969 0.208 0.009 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.371 0.590 0.119 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.703 -1.480 -0.069 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.304 -1.993 1.188 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.722 -2.625 0.968 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.642 -4.161 1.016 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.378 -2.095 -0.242 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.764 -2.504 -0.417 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.579 -2.305 -1.465 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.040 -2.274 -1.261 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.454 0.790 0.628 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.512 1.500 1.272 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.223 1.113 1.140 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.798 0.029 0.400 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.844 -0.635 -0.207 0.00 0.00 +0.124 A ATOM 21 N LIG 1 5.147 -0.283 -0.109 0.00 0.00 -0.222 NA BRANCH 16 24 ATOM 22 C LIG 1 7.589 0.153 -1.417 0.00 0.00 +0.030 C ATOM 23 C LIG 1 7.878 0.549 0.027 0.00 0.00 +0.099 C ATOM 24 N LIG 1 6.776 1.201 0.772 0.00 0.00 -0.292 N ATOM 25 C LIG 1 7.069 1.401 2.212 0.00 0.00 +0.136 C ATOM 26 C LIG 1 8.548 1.133 2.533 0.00 0.00 +0.179 C ATOM 27 O LIG 1 8.977 -0.182 2.143 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 8.453 -0.607 0.867 0.00 0.00 +0.182 C ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.044 1.105 -0.160 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.933 0.609 -0.248 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.016 2.474 -0.192 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.048 3.203 -0.024 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.370 3.065 -0.400 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.156 2.899 -1.619 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.373 3.475 -1.697 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.912 4.270 -0.566 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.022 4.782 -0.623 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.086 4.389 0.524 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.444 4.948 1.290 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.845 3.810 0.612 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.571 2.136 -2.766 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.319 2.546 -3.081 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.312 2.262 -3.899 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.508 0.806 -2.505 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6